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EC number: 207-559-1 | CAS number: 480-96-6
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- information from database
- Qualifier:
- according to guideline
- Guideline:
- other: Calculated (ACD/Labs) Software V11.02
- Type of method:
- other: calculation
- Key result
- Boiling pt.:
- 246.2 °C
- Atm. press.:
- 760 mm Hg
- Conclusions:
- The boiling point is reported to 246.2 +/- 23.0 °C at normal pressure.
- Executive summary:
The results were calculated with (ACD/Labs) Software V11.02 and are thus considered to be reliable with restrictions.
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- information from database
- Qualifier:
- according to guideline
- Guideline:
- other: calculation
- Principles of method if other than guideline:
- Calculation results from five databases (EPISuite, OPERA models, NICEATM models, Toxicity Estimation Software Tool (TEST) Models, and ACD/Labs.).
- Type of method:
- other: calculation
- Key result
- Boiling pt.:
- 267 °C
- Conclusions:
- Results from 3 different calculation models are in the range 237 to 294°C. Both mean and median value are 267°C.
- Executive summary:
The results were calculated with generally accepted models and are thus considered to be reliable with restrictions.
Referenceopen allclose all
The boiling point is reported to 246.2 +/- 23.0 °C.
Results from 3 different calculation models are in the range 237 to 294°C. Both mean and median value are 267°C.
Description of key information
The boiling point is reported to 246.2 +/- 23.0 °C. The results were calculated with (ACD/Labs) Software V11.02 and are thus considered to be reliable with restrictions.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 246.2 °C
Additional information
In a further database, results from 3 different calculation models in the range 237 to 294°C are reported. Both mean and median value are 267°C.
The results were calculated with generally accepted models and are thus considered to be reliable with restrictions.
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